CHEBI:219298 - Sporidesmin F

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Sporidesmin F
ChEBI ID CHEBI:219298
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C19H22ClN3O6S
Net Charge 0
Average Mass 455.910
Monoisotopic Mass 455.09178
InChI InChI=1S/C19H22ClN3O6S/c1-8-14(24)23-16-18(27,15(25)19(23,30-6)17(26)21(8)2)9-7-10(20)12(28-4)13(29-5)11(9)22(16)3/h7,15-16,25,27H,1H2,2-6H3
InChIKey CHLALSASKWYQEZ-UHFFFAOYSA-N
SMILES ClC1=C(OC)C(OC)=C2N(C)C3C(C2=C1)(O)C(O)C4(SC)C(=O)N(C)C(C(N34)=O)=C
Metabolite of Species Details
Pithomyces chartarum (NCBI:txid1547544) See: DOI
ChEBI Ontology
Outgoing Sporidesmin F (CHEBI:219298) is a pyrroloindole (CHEBI:48133)
IUPAC Name
12-chloro-8,9-dihydroxy-13,14-dimethoxy-5,16-dimethyl-4-methylidene-7-methylsulanyl-2,5,16-triazatetracyclo[7.7.0.02,7.010,15]hexadeca-10,12,14-triene-3,6-dione
Manual Xref Database
32699460 ChemSpider
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